1-(3-fluoro-5-propoxyphenyl)propan-1-one

C12H15FO2 — CID 91655290

IUPAC1-(3-fluoro-5-propoxyphenyl)propan-1-one
SMILESCCCOc1cc(F)cc(C(=O)CC)c1
InChIInChI=1S/C12H15FO2/c1-3-5-15-11-7-9(12(14)4-2)6-10(13)8-11/h6-8H,3-5H2,1-2H3
InChIKeyNMDLRJPSJHOZKX-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.21
Rot. Bonds5

About 1-(3-fluoro-5-propoxyphenyl)propan-1-one

1-(3-fluoro-5-propoxyphenyl)propan-1-one (PubChem CID 91655290) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(3-fluoro-5-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-5-propoxyphenyl)propan-1-one
PubChem CID91655290
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(3-fluoro-5-propoxyphenyl)propan-1-one
SMILESCCCOc1cc(F)cc(C(=O)CC)c1
InChIInChI=1S/C12H15FO2/c1-3-5-15-11-7-9(12(14)4-2)6-10(13)8-11/h6-8H,3-5H2,1-2H3
InChIKeyNMDLRJPSJHOZKX-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-propoxybenzoic acid
CID 91636267
2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
CID 91657905
3-fluoro-5-propoxyaniline
CID 80752315
1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
CID 162236083
2-[3-(2-aminoethoxy)-5-propanoylphenoxy]ethylazanium
CID 163457922
1-[3-(difluoromethyl)-5-ethoxyphenyl]propan-1-one
CID 118813186
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
1-[3-ethoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one
CID 58136949
3-(5-amino-5-oxopentoxy)-5-fluorobenzoic acid
CID 114281657
ethyl 3-ethoxy-5-propanoylbenzoate
CID 134642064
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-propoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-5-propoxyphenyl)propan-1-one (CID 91655290) is 1-(3-fluoro-5-propoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-5-propoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-5-propoxyphenyl)propan-1-one is CCCOc1cc(F)cc(C(=O)CC)c1.
What is the InChIKey of 1-(3-fluoro-5-propoxyphenyl)propan-1-one?
The InChIKey is NMDLRJPSJHOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-5-15-11-7-9(12(14)4-2)6-10(13)8-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-propoxyphenyl)propan-1-one?
1-(3-fluoro-5-propoxyphenyl)propan-1-one has a molecular weight of 210.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-propoxyphenyl)propan-1-one is sourced from PubChem (CID 91655290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).